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Compound Detail

CHEMBL608619

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Nc1ccn(C2O[C@H](COP(=O)(O)OCC(=O)O)[C@@H](O)[C@H]2O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608619
Phase Preclinical
Structure Type MOL
InChI Key JWERXWBVOMMQHF-LIHGLPLCSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.2
MW (Da)
-2.34
ALogP
11
HBA
5
HBD
203.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N3O10P
MW 381.23
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.34

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
12482445 10.1016/s0960-894x(02)00735-7 CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase 1
12482445 10.1016/s0960-894x(02)00735-7 Beta-galactoside alpha-2,6-sialyltransferase 1 1

Data from ChEMBL 36 via Core Engine